srreal DLL not loading properly on windows #81
Description
Problem
I am getting this when I try and run tests in pdfbl-sequential on windows:
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
#!/usr/bin/env python
##############################################################################
#
# diffpy.srreal by DANSE Diffraction group
# Simon J. L. Billinge
# (c) 2010 The Trustees of Columbia University
# in the City of New York. All rights reserved.
#
# File coded by: Pavol Juhas
#
# See AUTHORS.txt for a list of people who contributed.
# See LICENSE_DANSE.txt for license information.
#
##############################################################################
"""
Top-level classes for PDF calculation:
DebyePDFCalculator -- simulate PDF by evaluating Debye sum in Q-space
PDFCalculator -- calculate PDF by peak summation in real space
"""
> from diffpy.srreal.srreal_ext import (
DebyePDFCalculator,
PDFCalculator,
fftftog,
fftgtof,
)
E ImportError: DLL load failed while importing srreal_ext: The specified module could not be found.
..\..\micromamba\envs\pdfbl\Lib\site-packages\diffpy\srreal\pdfcalculator.py:21: ImportError
====================================================== short test summary info ======================================================
FAILED tests/test_pdfadapter.py::test_pdfadapter - ImportError: DLL load failed while importing srreal_ext: The specified module could not be found.
FAILED tests/test_sequential_cmi_runner.py::test_load_inputs_bad - ImportError: DLL load failed while importing srreal_ext: The specified module could not be found.
FAILED tests/test_sequential_cmi_runner.py::test_run_sequential_cmi_runner - ImportError: DLL load failed while importing srreal_ext: The specified module could not be found.
FAILED tests/test_sequential_cmi_runner.py::test_data_for_plot - ImportError: DLL load failed while importing srreal_ext: The specified module could not be found.
========================================================= 4 failed in 7.15s =========================================================
Proposed solution
Figure out why and fix it. Here is the env list:
List of packages in environment: "C:\\Users\\simon\\micromamba\\envs\\pdfbl"
Name Version Build Channel
------------------------------------------------------------------------
arrow 1.4.0 py312haa95532_0 pkgs/main
bg-mpl-stylesheets 0.5.1 pyhff2d567_0 conda-forge
binaryornot 0.4.4 pyhd3eb1b0_1 pkgs/main
blas 1.0 mkl pkgs/main
brotlicffi 1.2.0.0 py312h885b0b7_0 pkgs/main
bzip2 1.0.8 h2bbff1b_6 pkgs/main
ca-certificates 2025.12.2 haa95532_0 pkgs/main
cairo 1.18.4 he9e932c_0 pkgs/main
certifi 2026.01.04 py312haa95532_0 pkgs/main
cffi 2.0.0 py312h02ab6af_1 pkgs/main
cfgv 3.5.0 py312haa95532_0 pkgs/main
chardet 5.2.0 py312haa95532_0 pkgs/main
charset-normalizer 3.4.4 py312haa95532_0 pkgs/main
click 8.2.1 py312haa95532_1 pkgs/main
codecov 2.1.11 pyhd3eb1b0_0 pkgs/main
colorama 0.4.6 py312haa95532_0 pkgs/main
contourpy 1.3.3 py312h214f63a_0 pkgs/main
cookiecutter 2.6.0 py312haa95532_1 pkgs/main
coverage 7.11.0 py312h630b2a1_1 pkgs/main
cycler 0.12.1 py312haa95532_0 pkgs/main
diffpy.cmi 3.1.2 pyhd8ed1ab_0 conda-forge
diffpy.srfit 3.2.0 pyhd8ed1ab_0 conda-forge
diffpy.srreal 1.4.0 py312h0e1366e_3 conda-forge
diffpy.structure 3.3.1 pyhd8ed1ab_0 conda-forge
diffpy.utils 3.7.1 pyhd8ed1ab_0 conda-forge
distlib 0.4.0 py312h02ab6af_0 pkgs/main
dlfcn-win32 1.4.2 hac47afa_0 conda-forge
expat 2.7.4 hd7fb8db_0 pkgs/main
filelock 3.20.3 py312haa95532_0 pkgs/main
flake8 7.3.0 py312haa95532_0 pkgs/main
fontconfig 2.15.0 hd211d86_0 pkgs/main
fonttools 4.61.0 py312h02ab6af_0 pkgs/main
freetype 2.14.1 hfbffc0b_0 pkgs/main
gh 2.86.0 h36e2d1d_0 conda-forge
graphite2 1.3.14 hd77b12b_1 pkgs/main
greenlet 3.2.4 py312h885b0b7_0 pkgs/main
gsl 2.7.1 h6051b90_1 pkgs/main
harfbuzz 12.3.0 h3ef6528_1 pkgs/main
icc_rt 2022.1.0 h6049295_2 pkgs/main
icu 73.1 h6c2663c_0 pkgs/main
identify 2.5.5 py312haa95532_0 pkgs/main
idna 3.11 py312haa95532_0 pkgs/main
iniconfig 2.3.0 py312haa95532_0 pkgs/main
intel-openmp 2025.0.0 haa95532_1164 pkgs/main
jinja2 3.1.6 py312haa95532_0 pkgs/main
jpeg 9f ha349fce_0 pkgs/main
kiwisolver 1.4.9 py312h03f52e7_0 pkgs/main
lcms2 2.16 hb4a4139_0 pkgs/main
lerc 3.0 hd77b12b_0 pkgs/main
libboost 1.88.0 h3d2b97d_0 pkgs/main
libboost-python 1.88.0 py312he783f19_0 pkgs/main
libdeflate 1.17 h2bbff1b_1 pkgs/main
libdiffpy 1.4.1 h29e0fdf_1 conda-forge
libexpat 2.7.4 hd7fb8db_0 pkgs/main
libffi 3.4.4 hd77b12b_1 pkgs/main
libglib 2.86.3 h9bccc14_0 pkgs/main
libhwloc 2.12.1 default_hfa10c62_1000 pkgs/main
libiconv 1.16 h2bbff1b_3 pkgs/main
libkrb5 1.22.1 hb237eb7_0 pkgs/main
libobjcryst 2024.2.1 h26c23d0_1 conda-forge
libpng 1.6.54 ha15c746_0 pkgs/main
libpq 17.6 h64815fc_1 pkgs/main
libtiff 4.5.1 hd77b12b_0 pkgs/main
libwebp-base 1.6.0 hbf3958f_0 pkgs/main
libxml2 2.13.9 h6201b9f_0 pkgs/main
libzlib 1.3.1 h02ab6af_0 pkgs/main
lz4-c 1.9.4 h2bbff1b_1 pkgs/main
markdown-it-py 4.0.0 py312haa95532_1 pkgs/main
markupsafe 3.0.2 py312h827c3e9_0 pkgs/main
matplotlib 3.10.8 py312haa95532_0 pkgs/main
matplotlib-base 3.10.8 py312h26e45b9_0 pkgs/main
mccabe 0.7.0 pyhd3eb1b0_0 pkgs/main
mdurl 0.1.2 py312haa95532_0 pkgs/main
mkl 2025.0.0 h5da7b33_930 pkgs/main
mkl-service 2.5.2 py312h0b37514_0 pkgs/main
mkl_fft 2.1.1 py312h300f80d_0 pkgs/main
mkl_random 1.3.0 py312ha5e6156_0 pkgs/main
mysql-common 9.3.0 hc394544_4 pkgs/main
mysql-libs 9.3.0 h58c8544_4 pkgs/main
nodeenv 1.9.1 py312haa95532_0 pkgs/main
numpy 2.4.2 py312h22cce72_0 pkgs/main
numpy-base 2.4.2 py312h1df51cf_0 pkgs/main
openjpeg 2.5.2 hae555c5_0 pkgs/main
openssl 3.0.19 hbb43b14_0 pkgs/main
packaging 25.0 py312haa95532_1 pkgs/main
pcre2 10.46 h5740b90_0 pkgs/main
pdfbl.sequential 0.0.1 pypi_0 pypi
periodictable 2.0.2 py312haa95532_0 pkgs/main
pillow 11.1.0 py312h096bfcc_0 pkgs/main
pip 26.0.1 pyhc872135_0 pkgs/main
pixman 0.46.4 h4043f72_0 pkgs/main
platformdirs 4.5.0 py312haa95532_0 pkgs/main
pluggy 1.5.0 py312haa95532_0 pkgs/main
ply 3.11 py312haa95532_1 pkgs/main
pre-commit 3.4.0 py312haa95532_1 pkgs/main
prettytable 3.16.0 py312haa95532_0 pkgs/main
prompt-toolkit 3.0.52 py312haa95532_1 pkgs/main
prompt_toolkit 3.0.52 hd3eb1b0_1 pkgs/main
psutil 7.0.0 py312h02ab6af_1 pkgs/main
pycifrw 5.0.1 py312he06e257_0 conda-forge
pycodestyle 2.14.0 py312haa95532_0 pkgs/main
pycparser 2.23 py312haa95532_0 pkgs/main
pyflakes 3.4.0 py312haa95532_0 pkgs/main
pygments 2.19.2 py312haa95532_0 pkgs/main
pyobjcryst 2025.1.0 py312h0e1366e_1 conda-forge
pyparsing 3.2.5 py312haa95532_0 pkgs/main
pyqt 6.9.1 py312h12ec796_0 pkgs/main
pyqt6-sip 13.10.2 py312h630b2a1_0 pkgs/main
pysocks 1.7.1 py312haa95532_1 pkgs/main
pytest 9.0.2 py312haa95532_0 pkgs/main
pytest-cov 7.0.0 py312haa95532_0 pkgs/main
pytest-env 1.2.0 pyhd8ed1ab_0 conda-forge
python 3.12.12 h716150d_1 pkgs/main
python-dateutil 2.9.0post0 py312haa95532_2 pkgs/main
python-slugify 8.0.4 py312haa95532_0 pkgs/main
python-tzdata 2025.3 pyhd3eb1b0_0 pkgs/main
python_abi 3.12 3_cp312 pkgs/main
pyyaml 6.0.3 py312hb9a58be_0 pkgs/main
qtbase 6.9.2 h3266e9d_6 pkgs/main
qtdeclarative 6.9.2 h88b4c33_1 pkgs/main
qtsvg 6.9.2 h30ace32_1 pkgs/main
qttools 6.9.2 h7e7b719_1 pkgs/main
qtwebchannel 6.9.2 heb02b0b_1 pkgs/main
qtwebsockets 6.9.2 heb02b0b_1 pkgs/main
requests 2.32.5 py312haa95532_1 pkgs/main
rich 14.2.0 py312haa95532_0 pkgs/main
scikit-package 0.2.1 pyhd8ed1ab_1 conda-forge
scipy 1.16.3 py312hbd6d557_0 pkgs/main
setuptools 80.10.2 py312haa95532_0 pkgs/main
sip 6.12.0 py312h706e071_0 pkgs/main
six 1.17.0 py312haa95532_0 pkgs/main
sqlalchemy 2.0.45 py312hda9a48d_0 pkgs/main
sqlite 3.51.1 hda9a48d_0 pkgs/main
tbb 2022.3.0 h90c84d6_0 pkgs/main
tbb-devel 2022.3.0 h90c84d6_0 pkgs/main
text-unidecode 1.3 pyhd3eb1b0_0 pkgs/main
tk 8.6.15 hf199647_0 pkgs/main
toml 0.10.2 pyhd3eb1b0_0 pkgs/main
tomli 2.4.0 py312haa95532_0 pkgs/main
tornado 6.5.4 py312h02ab6af_0 pkgs/main
typing-extensions 4.15.0 py312haa95532_0 pkgs/main
typing_extensions 4.15.0 py312haa95532_0 pkgs/main
tzdata 2025c he532380_0 pkgs/main
ucrt 10.0.22621.0 haa95532_0 pkgs/main
ukkonen 1.0.1 py312h214f63a_1 pkgs/main
urllib3 2.6.3 py312haa95532_0 pkgs/main
vc 14.3 h2df5915_10 pkgs/main
vc14_runtime 14.44.35208 h4927774_10 pkgs/main
virtualenv 20.28.0 py312haa95532_0 pkgs/main
vs2015_runtime 14.44.35208 ha6b5a95_10 pkgs/main
wcwidth 0.2.14 py312haa95532_0 pkgs/main
wheel 0.46.3 py312haa95532_0 pkgs/main
win_inet_pton 1.1.0 py312haa95532_1 pkgs/main
xraydb 4.5.8 pyhd8ed1ab_0 conda-forge
xz 5.6.4 h4754444_1 pkgs/main
yaml 0.2.5 he774522_0 pkgs/main
zlib 1.3.1 h02ab6af_0 pkgs/main
zstd 1.5.7 h56299aa_0 pkgs/main
the platform is windows 11 and I am working in a micromamba python 3.12 environment.
Note that this is being run after I merged a new diffpy.srreal build in conda-forge so it would be good to ascertain if that is the issue.